2,4-dimethyl-1-(2-phenylethyl)benzene;gold

C16H18Au — CID 173364905

IUPAC2,4-dimethyl-1-(2-phenylethyl)benzene;gold
SMILESCc1ccc(CCc2ccccc2)c(C)c1.[Au]
InChIInChI=1S/C16H18.Au/c1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;/h3-8,10,12H,9,11H2,1-2H3;
InChIKeyNSQDYLYDEQOCNV-UHFFFAOYSA-N
MW407.29 g/mol
LogP4.09
Rot. Bonds3

About 2,4-dimethyl-1-(2-phenylethyl)benzene;gold

2,4-dimethyl-1-(2-phenylethyl)benzene;gold (PubChem CID 173364905) has the molecular formula C16H18Au and a molecular weight of 407.29 g/mol. Its IUPAC name is 2,4-dimethyl-1-(2-phenylethyl)benzene;gold.

Molecular Properties

Compound Name2,4-dimethyl-1-(2-phenylethyl)benzene;gold
PubChem CID173364905
Molecular FormulaC16H18Au
Molecular Weight407.29 g/mol
Exact Mass407.11
IUPAC Name2,4-dimethyl-1-(2-phenylethyl)benzene;gold
SMILESCc1ccc(CCc2ccccc2)c(C)c1.[Au]
InChIInChI=1S/C16H18.Au/c1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;/h3-8,10,12H,9,11H2,1-2H3;
InChIKeyNSQDYLYDEQOCNV-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
CID 91426393
1-[2-(2,4-dimethylphenyl)ethyl]-3-(2-phenylethyl)urea
CID 3381220
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
1-methyl-2-[2-(3-methylphenyl)ethyl]benzene
CID 13419836
1-[2-(3-but-2-en-2-ylphenyl)ethyl]-2,4-dimethylbenzene
CID 153358848
2-(2,4-dimethylphenyl)-N-(2-phenylethyl)acetamide
CID 100770824
2-[2-(2,4-dimethylphenyl)ethyl]-1-(2-phenylethyl)guanidine
CID 111075809
4-methyl-2-(2-phenylethyl)benzenesulfonic acid
CID 19769457
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-(2-phenylethyl)benzene;gold?
The IUPAC name of 2,4-dimethyl-1-(2-phenylethyl)benzene;gold (CID 173364905) is 2,4-dimethyl-1-(2-phenylethyl)benzene;gold.
What is the SMILES notation for 2,4-dimethyl-1-(2-phenylethyl)benzene;gold?
The canonical SMILES for 2,4-dimethyl-1-(2-phenylethyl)benzene;gold is Cc1ccc(CCc2ccccc2)c(C)c1.[Au].
What is the InChIKey of 2,4-dimethyl-1-(2-phenylethyl)benzene;gold?
The InChIKey is NSQDYLYDEQOCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.Au/c1-13-8-10-16(14(2)12-13)11-9-15-6-4-3-5-7-15;/h3-8,10,12H,9,11H2,1-2H3;.
What are the key properties of 2,4-dimethyl-1-(2-phenylethyl)benzene;gold?
2,4-dimethyl-1-(2-phenylethyl)benzene;gold has a molecular weight of 407.29 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-(2-phenylethyl)benzene;gold is sourced from PubChem (CID 173364905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).